CAS 4099-81-4 | 5'-IODO-5'-DEOXYADENOSINE | CAS Number 4099-81-4

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4099-81-4 | 5'-IODO-5'-DEOXYADENOSINE

CAS No: 4099-81-4 Catalog No: AG00C0Q9 MDL No:

Product Description

Catalog Number:

AG00C0Q9

Chemical Name:

5'-IODO-5'-DEOXYADENOSINE

CAS Number:

4099-81-4

Molecular Formula:

C10H12IN5O3

Molecular Weight:

377.1385

IUPAC Name:

(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol

InChI:

InChI=1S/C10H12IN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1

InChI Key:

FUWWLIOFNXNKQR-KQYNXXCUSA-N

SMILES:

IC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N

EC Number:

223-864-2

UNII:

2TNH37AEUR

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

376.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

377.142g/mol

Monoisotopic Mass:

376.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
S-Adenosyl-L-methionine hydrolase (adenosine-forming), a conserved bacterial and archaeal protein related to SAM-dependent halogenases.	Chembiochem : a European journal of chemical biology 20080922
Discovery and characterization of a marine bacterial SAM-dependent chlorinase.	Nature chemical biology 20080101